2-(4-nitrophenyl)-2-phenylethenone

C14H9NO3 — CID 86199911

IUPAC2-(4-nitrophenyl)-2-phenylethenone
SMILESO=C=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H9NO3/c16-10-14(11-4-2-1-3-5-11)12-6-8-13(9-7-12)15(17)18/h1-9H
InChIKeyMUCABQSVJMZMDZ-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.86
Rot. Bonds3

About 2-(4-nitrophenyl)-2-phenylethenone

2-(4-nitrophenyl)-2-phenylethenone (PubChem CID 86199911) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-2-phenylethenone.

Molecular Properties

Compound Name2-(4-nitrophenyl)-2-phenylethenone
PubChem CID86199911
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name2-(4-nitrophenyl)-2-phenylethenone
SMILESO=C=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H9NO3/c16-10-14(11-4-2-1-3-5-11)12-6-8-13(9-7-12)15(17)18/h1-9H
InChIKeyMUCABQSVJMZMDZ-UHFFFAOYSA-N
XLogP2.86
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methanediimine;bis((4-nitrophenyl)-phenylmethanone)
CID 174915149
carbonic acid;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 175319577
carbon dioxide;nitrobenzene
CID 163592574
acetic acid;(4-nitrophenyl)-phenylmethanone
CID 162340702
hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 172745216
1-(4-nitrophenyl)-3-phenylprop-2-yn-1-one
CID 891179
(4-nitrophenyl)-phenylmethanone;oxaldehydic acid
CID 175307297
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]benzene
CID 122387900
(4-nitrophenyl)-phenylmethanone;propan-2-ol
CID 174454674
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene
CID 122387898
carbonic acid;nitrobenzene
CID 68662598
nitrobenzene;sulfanol
CID 174553859

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-2-phenylethenone?
The IUPAC name of 2-(4-nitrophenyl)-2-phenylethenone (CID 86199911) is 2-(4-nitrophenyl)-2-phenylethenone.
What is the SMILES notation for 2-(4-nitrophenyl)-2-phenylethenone?
The canonical SMILES for 2-(4-nitrophenyl)-2-phenylethenone is O=C=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-nitrophenyl)-2-phenylethenone?
The InChIKey is MUCABQSVJMZMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3/c16-10-14(11-4-2-1-3-5-11)12-6-8-13(9-7-12)15(17)18/h1-9H.
What are the key properties of 2-(4-nitrophenyl)-2-phenylethenone?
2-(4-nitrophenyl)-2-phenylethenone has a molecular weight of 239.23 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-2-phenylethenone is sourced from PubChem (CID 86199911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).